Information card for entry 1517899

Structure parameters

• Formula: C4 H30 B18 Co Na O4
• Calculated formula: C4 H30 B18 Co Na O4
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1039[BH]397[BH]75%12[BH]5%13%14[BH]%121%15[BH]%11%103[BH]975%12)[CH]135[CH]792[BH]2%105[BH]5%113[BH]341[BH]148[BH]867[BH]69%10[BH]72%11[BH]531[BH]4867.[Na+].O.O.O.O
• Title of publication: Control over the Self-Assembly and Dynamics of Metallacarborane Nanorotors by the Nature of the Polymer Matrix: A Solid-State NMR Study
• Authors of publication: Brus, Jiri; Zhigunov, Alexander; Czernek, Jiří; Kobera, Libor; Uchman, Mariusz; Matějíček, Pavel
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6343
• a: 6.6543 ± 0.0003 Å
• b: 10.1234 ± 0.0004 Å
• c: 30.056 ± 0.0011 Å
• α: 90°
• β: 93.254 ± 0.001°
• γ: 90°
• Cell volume: 2021.43 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No